[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol

C7H5BrClF2NO — CID 130108201

IUPAC[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(Cl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1,7,13H,2H2
InChIKeyJDCJIVFBUHLLMQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.93
Rot. Bonds2

About [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol

[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130108201) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130108201
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(Cl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1,7,13H,2H2
InChIKeyJDCJIVFBUHLLMQ-UHFFFAOYSA-N
XLogP2.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol (CID 130108201) is [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol is OCc1c(C(F)F)cnc(Cl)c1Br.
What is the InChIKey of [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is JDCJIVFBUHLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1,7,13H,2H2.
What are the key properties of [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol?
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 272.48 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).